NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 5 V 4.5270 8.0393 120.6631 63.3639 32.9056 174.0805 6 T 4.5976 8.7092 115.0459 59.9550 72.7724 171.0208 7 T 4.7945 9.0341 120.4077 63.1247 69.8007 175.2004 8 Y 5.0998 9.3374 123.5172 56.2256 41.8602 174.8437 9 K 5.0181 9.3849 120.8242 54.6303 36.6233 174.8627 10 L 4.8843 8.5506 123.9775 53.2084 45.3189 175.1250 11 V 4.5027 8.8122 126.7509 61.2847 33.5909 173.9372 12 I 4.4384 8.8353 129.5283 59.1098 39.8161 174.5194 13 N 5.2086 8.7849 130.4013 51.9140 37.7338 173.1906 14 G 4.2040 8.5048 109.5648 44.1651 0.0000 172.6082 15 K 4.2452 9.6092 120.2955 58.8311 32.0427 178.6670 16 T 4.4165 7.7983 105.3591 60.8210 70.8507 173.2751 17 L 4.5834 7.7596 124.7566 53.1289 43.1740 174.9661 18 K 5.0722 9.3379 124.5829 54.0148 36.6200 177.4653 19 G 3.8205 7.1063 108.4401 45.7151 0.0000 171.1847 20 E 5.1794 7.9985 119.9950 55.4437 33.9282 174.6166 21 T 4.6940 8.3694 115.3336 61.5641 71.5353 171.9432 22 T 5.5746 8.2007 113.9006 60.9832 72.5614 172.4157 23 T 4.6376 9.1551 114.4796 61.1010 71.3771 172.0787 24 K 5.1636 8.6467 125.6669 54.9571 33.6417 175.5435 25 A 4.7421 9.1786 126.0772 50.0677 22.6776 177.1095 26 V 3.6013 8.5744 118.9167 65.8187 32.0734 175.8108 27 D 4.7296 7.6835 118.7901 51.9767 42.9304 176.0130 28 A 3.0487 8.2081 120.5635 54.9527 18.1316 179.4856 29 A 3.8566 7.7617 118.7283 55.6749 18.0172 179.8698 30 T 3.6661 8.4731 114.3650 66.5680 68.3951 176.8776 31 A 3.5911 7.5621 122.7573 54.8180 18.2510 179.2637 32 E 3.0181 8.0599 118.2401 58.9645 29.5775 179.2771 33 K 3.7575 7.4542 118.7537 59.1733 32.0640 179.4760 34 V 3.4787 7.0764 117.2572 66.0916 31.3522 178.1796 35 F 4.7263 7.8919 117.6384 60.6855 38.6656 177.9067 36 K 4.0431 8.3339 118.6198 59.1656 31.6747 179.2764 37 Q 3.9475 8.0877 120.1902 59.1018 29.0839 177.5294 38 Y 4.0620 8.3908 120.4019 60.7207 38.8528 177.8732 39 A 3.9528 8.6999 121.9766 55.3344 18.5655 179.3104 40 N 4.2983 8.5322 115.1641 56.6982 38.3987 177.4429 41 D 4.4226 8.3846 119.5977 56.7198 40.8849 177.4973 42 N 4.6925 7.4464 114.3949 52.4157 38.7168 175.9022 43 G 3.8742 7.7619 108.0835 45.7213 0.0000 174.5324 44 V 3.9145 7.7197 119.3315 62.7653 31.9612 175.7529 45 D 4.6086 9.1522 125.9649 53.3492 42.7612 173.8571 46 G 4.1253 8.2572 111.7971 45.0619 0.0000 168.6413 47 E 4.6851 9.1039 121.2761 55.0652 31.0457 175.4695 48 W 5.3012 9.0698 127.0153 55.6051 30.7328 175.5322 49 T 5.0119 9.1644 114.1772 60.1777 72.6329 172.1015 50 Y 4.9660 8.3347 121.7928 56.1183 42.8619 173.0240 51 D 4.4871 8.4733 127.0731 52.6696 42.0442 176.3694 52 D 4.1075 8.5918 126.6436 57.4065 41.1794 179.2776 53 A 3.9206 8.0051 120.0012 55.0102 18.3678 178.1539 54 T 4.2755 7.9140 102.6445 60.3913 69.6137 174.6949 55 K 4.1014 7.1675 120.1041 57.3007 30.5281 174.5027 56 T 5.2896 7.2838 113.6097 61.9182 71.9915 174.9413 57 F 5.3091 9.9081 125.3941 56.8983 41.4959 174.9745 58 T 5.1211 9.1946 118.2136 61.6642 72.3523 173.2254 59 V 4.1253 8.4554 126.1255 59.7431 33.7761 174.5042 60 T 4.8997 8.4456 116.2702 59.6607 71.0827 173.1308 61 E 4.6426 8.6781 125.9745 54.8014 31.0624 176.8339 62 K 4.1320 8.4809 121.0709 56.8636 32.1584 177.0445 NUM RES H HA HB HB2 HB3 HD1 HD2 HD21 HD22 HD3 HE HE1 HE2 HE21 HE22 HE3 HG HG1 HG12 HG13 HG2 HG3 HZ 5 V 8.04 4.53 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.05 0.00 0.00 0.96 0.00 0.00 6 T 8.71 4.60 4.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.00 0.00 7 T 9.03 4.79 4.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.00 0.00 8 Y 9.34 5.10 0.00 3.18 3.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 9 K 9.38 5.02 0.00 1.76 1.68 0.00 1.62 0.00 0.00 1.59 0.00 0.00 2.82 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.41 1.43 7.81 10 L 8.55 4.88 0.00 0.27 0.62 0.82 1.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.91 0.00 0.00 0.00 0.00 0.00 0.00 11 V 8.81 4.50 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.90 0.00 0.00 0.89 0.00 0.00 12 I 8.84 4.44 1.82 0.00 0.00 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.14 1.25 1.03 0.00 0.00 13 N 8.78 5.21 0.00 2.74 2.57 0.00 0.00 6.56 8.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 14 G 8.50 4.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 15 K 9.61 4.25 0.00 1.67 1.88 0.00 1.63 0.00 0.00 1.96 0.00 0.00 3.16 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.46 1.41 7.81 16 T 7.80 4.42 4.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.00 0.00 17 L 7.76 4.58 0.00 1.71 1.55 0.93 0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.00 0.00 0.00 0.00 0.00 0.00 18 K 9.34 5.07 0.00 1.71 1.62 0.00 1.87 0.00 0.00 1.69 0.00 0.00 3.11 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.30 1.48 7.81 19 G 7.11 3.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 20 E 8.00 5.18 0.00 1.77 1.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.16 2.25 0.00 21 T 8.37 4.69 3.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.59 0.00 0.00 22 T 8.20 5.57 4.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.00 0.00 23 T 9.16 4.64 4.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.71 0.00 0.00 24 K 8.65 5.16 0.00 1.69 1.76 0.00 1.77 0.00 0.00 1.72 0.00 0.00 2.74 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.39 1.45 7.81 25 A 9.18 4.74 1.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 26 V 8.57 3.60 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.86 0.00 0.00 0.93 0.00 0.00 27 D 7.68 4.73 0.00 2.91 2.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 28 A 8.21 3.05 1.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 29 A 7.76 3.86 1.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 30 T 8.47 3.67 4.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.10 0.00 0.00 31 A 7.56 3.59 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 32 E 8.06 3.02 0.00 1.38 1.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.51 0.00 33 K 7.45 3.76 0.00 1.74 1.70 0.00 1.61 0.00 0.00 1.46 0.00 0.00 2.77 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.27 1.52 7.81 34 V 7.08 3.48 1.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.90 0.00 0.00 0.81 0.00 0.00 35 F 7.89 4.73 0.00 3.11 3.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 36 K 8.33 4.04 0.00 1.50 1.63 0.00 0.79 0.00 0.00 1.03 0.00 0.00 2.13 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.69 0.21 7.81 37 Q 8.09 3.95 0.00 2.26 2.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.11 6.81 0.00 0.00 0.00 0.00 0.00 2.37 2.45 0.00 38 Y 8.39 4.06 0.00 3.28 3.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 39 A 8.70 3.95 1.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 40 N 8.53 4.30 0.00 2.92 2.89 0.00 0.00 7.07 8.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 41 D 8.38 4.42 0.00 2.72 2.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 42 N 7.45 4.69 0.00 2.53 2.67 0.00 0.00 7.04 7.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 43 G 7.76 3.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 44 V 7.72 3.91 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.76 0.00 0.00 0.94 0.00 0.00 45 D 9.15 4.61 0.00 2.67 2.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46 G 8.26 4.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47 E 9.10 4.69 0.00 2.06 1.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.35 2.38 0.00 48 W 9.07 5.30 0.00 3.29 3.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 49 T 9.16 5.01 4.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.00 0.00 50 Y 8.33 4.97 0.00 2.81 2.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 51 D 8.47 4.49 0.00 2.61 2.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 52 D 8.59 4.11 0.00 2.69 2.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53 A 8.01 3.92 1.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54 T 7.91 4.28 4.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 0.00 0.00 55 K 7.17 4.10 0.00 1.87 1.99 0.00 1.44 0.00 0.00 1.66 0.00 0.00 2.83 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.44 1.55 7.81 56 T 7.28 5.29 4.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.00 0.00 57 F 9.91 5.31 0.00 3.17 3.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 58 T 9.19 5.12 4.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.00 0.00 59 V 8.46 4.13 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.33 0.00 0.00 0.09 0.00 0.00 60 T 8.45 4.90 4.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.13 0.00 0.00 61 E 8.68 4.64 0.00 1.85 1.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.38 2.22 0.00 62 K 8.48 4.13 0.00 1.72 1.72 0.00 1.67 0.00 0.00 1.75 0.00 0.00 3.14 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.45 1.49 7.81